SCHEMBL6024522

SCHEMBL6024522

c1cc2c(cn1)cc1n2CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.38
▸ HTR2C P28335 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ PRKCB P05771 3/20 0.32
▸ PRKCA P17252 3/20 0.32
▸ PRKCH P24723 3/20 0.32
▸ PRKCE Q02156 3/20 0.32
▸ PRKCQ Q04759 3/20 0.32
▸ PRKCD Q05655 3/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18527166 0.95 HTR2A (0.37) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL6025331 0.86 HTR2A (0.38) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL18527316 0.81 HTR2A (0.37) HTR2AHTR2CALDH1A1SIGMAR1MAPT
SCHEMBL761931 0.74 HTR2A (0.64) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL30703022 0.74 HTR2A (0.64) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL18527335 0.73 HTR2A (0.31) HTR2AHTR2C
SCHEMBL18202191 0.70 SIGMAR1 (0.48) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL5231494 0.70 HTR2A (0.39) HTR2AHTR2CKDM4EALDH1A1SIGMAR1
SCHEMBL30819803 0.70 HTR2A (0.39) HTR2AHTR2CKDM4EALDH1A1SIGMAR1
SCHEMBL29548539 0.69 HTR2A (0.62) HTR2AHTR2CSIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 — — WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 — — US disclosed
EP-1274711-B1 NEW AZA-INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-05-17 — — EP disclosed
US-6583134-B2 Tricyclic aza-indolyl derivatives substituted with ethylamine group is useful for treating central nervous system disorder,cardiovascular disorder, gastrointestinal disorders, diabetes insipidus, and particularly useful for obesity HOFFMAN-LA ROCHE INC. 2003-06-24 — — US disclosed
EP-1274711-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-01-15 — — EP disclosed
US-20010025039-A1 Aza- indolyl derivatives for treating obesity HOFFMANN-LA ROCHE INC. 2001-09-27 — — US disclosed
WO-2001066548-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-13 — — WO disclosed
EP-1132389-A1 New aza-indolyl derivatives for the treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2001-09-12 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010025039-A1 Aza- indolyl derivatives for treating obesity GPR119, GIPR, INMT HTR2A 488/4885HTR2C 410/4885KDM4E 161/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC HTR2A 189/4885HTR2C 215/4885KDM4E 3178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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